8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione
TL;DR: 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione (CAS 6466-22-4) is a chemical compound with molecular formula C13H20N4S3 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hexylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione
Also Known As: Theophylline, 8-(hexylthio)dithio-, Theophylline, 2,6-dithio-8-hexylthio-, 2,6-Dithio-8-n-hexylthiotheophylline, 2,6-Dithio-8-(N-hexylthio)theophylline, Theophylline,8-(hexylthio)dithio
| Molecular Formula | C13H20N4S3 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 4.37128 |
| Topological Polar Surface Area | 38.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.08502 |
| Heavy Atoms | 20 |
| Complexity | 710.7002 |
Chemical Identifiers
| CAS Number | 6466-22-4 |
|---|---|
| SMILES | CCCCCCSC1=NC2=C(N1)C(=S)N(C(=S)N2C)C |
Product Overview
8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione (CAS 6466-22-4), with molecular formula C13H20N4S3 and molecular weight 328.09 g/mol. IUPAC: 8-hexylsulfanyl-1,3-dimethyl-7H-purine-2,6-dithione.
Chemical Property Profile of 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione
Property Insights of 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione
The XLogP value of 4.37128 indicates that 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.54 Ų, 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione?
The CAS number of 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione is 6466-22-4.
What is the molecular formula of 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione?
The molecular formula of 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione is C13H20N4S3.
What is the molecular weight of 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione?
The molecular weight of 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione is 328.09 g/mol.
Where can I buy 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione?
You can request a quote for 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Hexylthio)-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.